4-methyl-N-propylnon-3-en-1-amine

C13H27N — CID 79597954

IUPAC4-methyl-N-propylnon-3-en-1-amine
SMILESCCCCCC(C)=CCCNCCC
InChIInChI=1S/C13H27N/c1-4-6-7-9-13(3)10-8-12-14-11-5-2/h10,14H,4-9,11-12H2,1-3H3
InChIKeyAJJMOPBHCVJNOQ-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.90
Rot. Bonds9

About 4-methyl-N-propylnon-3-en-1-amine

4-methyl-N-propylnon-3-en-1-amine (PubChem CID 79597954) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 4-methyl-N-propylnon-3-en-1-amine.

Molecular Properties

Compound Name4-methyl-N-propylnon-3-en-1-amine
PubChem CID79597954
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name4-methyl-N-propylnon-3-en-1-amine
SMILESCCCCCC(C)=CCCNCCC
InChIInChI=1S/C13H27N/c1-4-6-7-9-13(3)10-8-12-14-11-5-2/h10,14H,4-9,11-12H2,1-3H3
InChIKeyAJJMOPBHCVJNOQ-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propylnon-3-en-1-amine?
The IUPAC name of 4-methyl-N-propylnon-3-en-1-amine (CID 79597954) is 4-methyl-N-propylnon-3-en-1-amine.
What is the SMILES notation for 4-methyl-N-propylnon-3-en-1-amine?
The canonical SMILES for 4-methyl-N-propylnon-3-en-1-amine is CCCCCC(C)=CCCNCCC.
What is the InChIKey of 4-methyl-N-propylnon-3-en-1-amine?
The InChIKey is AJJMOPBHCVJNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-6-7-9-13(3)10-8-12-14-11-5-2/h10,14H,4-9,11-12H2,1-3H3.
What are the key properties of 4-methyl-N-propylnon-3-en-1-amine?
4-methyl-N-propylnon-3-en-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propylnon-3-en-1-amine is sourced from PubChem (CID 79597954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).